5-(3,4-dimethoxyphenyl)-4-methyl-2-piperidin-4-yl-4-propylpyrazol-3-one

C20H29N3O3 — CID 66616510

IUPAC5-(3,4-dimethoxyphenyl)-4-methyl-2-piperidin-4-yl-4-propylpyrazol-3-one
SMILESCCCC1(C)C(=O)N(C2CCNCC2)N=C1c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H29N3O3/c1-5-10-20(2)18(14-6-7-16(25-3)17(13-14)26-4)22-23(19(20)24)15-8-11-21-12-9-15/h6-7,13,15,21H,5,8-12H2,1-4H3
InChIKeyNLBUDAINWJNMHO-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.81
Rot. Bonds6

About 5-(3,4-dimethoxyphenyl)-4-methyl-2-piperidin-4-yl-4-propylpyrazol-3-one

5-(3,4-dimethoxyphenyl)-4-methyl-2-piperidin-4-yl-4-propylpyrazol-3-one (PubChem CID 66616510) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-4-methyl-2-piperidin-4-yl-4-propylpyrazol-3-one.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-4-methyl-2-piperidin-4-yl-4-propylpyrazol-3-one
PubChem CID66616510
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name5-(3,4-dimethoxyphenyl)-4-methyl-2-piperidin-4-yl-4-propylpyrazol-3-one
SMILESCCCC1(C)C(=O)N(C2CCNCC2)N=C1c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H29N3O3/c1-5-10-20(2)18(14-6-7-16(25-3)17(13-14)26-4)22-23(19(20)24)15-8-11-21-12-9-15/h6-7,13,15,21H,5,8-12H2,1-4H3
InChIKeyNLBUDAINWJNMHO-UHFFFAOYSA-N
XLogP2.81
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dimethoxyphenyl)-5,5-diethyl-1-piperidin-4-yl-4H-pyridazin-6-one;hydrochloride
CID 68647583
2-[1-(2-aminoacetyl)piperidin-4-yl]-5-(3,4-dimethoxyphenyl)-4,4-dimethylpyrazol-3-one;hydrochloride
CID 66616525
1-[2-[4-[3-(3,4-dimethoxyphenyl)-4,4-dimethyl-5-oxopyrazol-1-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 25115845
2-(1-benzoylpiperidin-4-yl)-5-(3,4-dimethoxyphenyl)-4,4-dimethylpyrazol-3-one
CID 46205949
5-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-4-yl)-4,4-dimethyl-2-piperidin-4-ylpyrazol-3-one
CID 66616591
3-cycloheptyl-1-(3-cyclopentyloxy-4-methoxyphenyl)-2,3-diazaspiro[4.5]dec-1-en-4-one
CID 122386180
5-(3,4-dimethoxyphenyl)-4,4-diethyl-2-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]pyrazol-3-one
CID 67365323
4-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]piperidine
CID 4913034
2-cycloheptyl-5-[4-methoxy-3-(naphthalen-1-ylmethoxy)phenyl]-4,4-dimethylpyrazol-3-one
CID 71449885
3-[4-[3-(3,4-dimethoxyphenyl)-4,4-dimethyl-5-oxopyrazol-1-yl]piperidin-1-yl]sulfonylbenzoic acid
CID 46203370
5-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-[1-(1-methylindol-4-yl)sulfonylpiperidin-4-yl]pyrazol-3-one
CID 67364380
5-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-(1-quinolin-8-ylsulfonylpiperidin-4-yl)pyrazol-3-one
CID 46202064

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-4-methyl-2-piperidin-4-yl-4-propylpyrazol-3-one?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-4-methyl-2-piperidin-4-yl-4-propylpyrazol-3-one (CID 66616510) is 5-(3,4-dimethoxyphenyl)-4-methyl-2-piperidin-4-yl-4-propylpyrazol-3-one.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-4-methyl-2-piperidin-4-yl-4-propylpyrazol-3-one?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-4-methyl-2-piperidin-4-yl-4-propylpyrazol-3-one is CCCC1(C)C(=O)N(C2CCNCC2)N=C1c1ccc(OC)c(OC)c1.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-4-methyl-2-piperidin-4-yl-4-propylpyrazol-3-one?
The InChIKey is NLBUDAINWJNMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-5-10-20(2)18(14-6-7-16(25-3)17(13-14)26-4)22-23(19(20)24)15-8-11-21-12-9-15/h6-7,13,15,21H,5,8-12H2,1-4H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-4-methyl-2-piperidin-4-yl-4-propylpyrazol-3-one?
5-(3,4-dimethoxyphenyl)-4-methyl-2-piperidin-4-yl-4-propylpyrazol-3-one has a molecular weight of 359.47 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-4-methyl-2-piperidin-4-yl-4-propylpyrazol-3-one is sourced from PubChem (CID 66616510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).